USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 SER OG : rot -81:sc= 0.982 USER MOD Set 1.2: A 32 MET CE :methyl -105:sc= 0 (180deg=-1.84!) USER MOD Set 2.1: A 16 GLN :FLIP amide:sc= -3.28! C(o=-9.5!,f=-7.4!) USER MOD Set 2.2: A 60 CYS SG : rot -160:sc= -4.1! USER MOD Single : A 13 THR OG1 : rot -90:sc= -0.909 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.37! X(o=-1.4!,f=-0.96) USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= -0.301 (180deg=-1.78!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.855 K(o=-0.86,f=-3.6!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -2.96! C(o=-3!,f=-3.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -86:sc= 1.09 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.155 USER MOD ----------------------------------------------------------------- ATOM 129 N THR A 13 -17.642 -6.725 -6.705 1.00 0.00 N ATOM 130 CA THR A 13 -17.255 -7.273 -7.999 1.00 0.00 C ATOM 131 C THR A 13 -16.280 -8.433 -7.835 1.00 0.00 C ATOM 132 O THR A 13 -15.845 -8.740 -6.725 1.00 0.00 O ATOM 133 CB THR A 13 -16.610 -6.198 -8.894 1.00 0.00 C ATOM 134 OG1 THR A 13 -15.499 -5.599 -8.218 1.00 0.00 O ATOM 135 CG2 THR A 13 -17.622 -5.125 -9.265 1.00 0.00 C ATOM 0 HA THR A 13 -18.167 -7.633 -8.476 1.00 0.00 H new ATOM 0 HB THR A 13 -16.262 -6.679 -9.808 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.808 -4.824 -7.705 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.144 -4.377 -9.897 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.452 -5.579 -9.805 1.00 0.00 H new ATOM 0 HG23 THR A 13 -17.996 -4.649 -8.359 1.00 0.00 H new ATOM 143 N LYS A 14 -15.939 -9.075 -8.948 1.00 0.00 N ATOM 144 CA LYS A 14 -15.013 -10.201 -8.929 1.00 0.00 C ATOM 145 C LYS A 14 -13.627 -9.758 -8.472 1.00 0.00 C ATOM 146 O LYS A 14 -13.002 -10.410 -7.636 1.00 0.00 O ATOM 147 CB LYS A 14 -14.925 -10.839 -10.317 1.00 0.00 C ATOM 148 CG LYS A 14 -14.448 -12.281 -10.295 1.00 0.00 C ATOM 149 CD LYS A 14 -15.605 -13.247 -10.101 1.00 0.00 C ATOM 150 CE LYS A 14 -15.133 -14.693 -10.124 1.00 0.00 C ATOM 151 NZ LYS A 14 -16.034 -15.583 -9.341 1.00 0.00 N ATOM 0 H LYS A 14 -16.291 -8.834 -9.875 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.391 -10.938 -8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.906 -10.797 -10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.248 -10.251 -10.936 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.934 -12.510 -11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.723 -12.413 -9.492 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.099 -13.039 -9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.345 -13.092 -10.886 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.084 -15.043 -11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.123 -14.752 -9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.678 -16.559 -9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.061 -15.265 -8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.993 -15.547 -9.743 1.00 0.00 H new ATOM 165 N GLU A 15 -13.154 -8.645 -9.024 1.00 0.00 N ATOM 166 CA GLU A 15 -11.842 -8.116 -8.672 1.00 0.00 C ATOM 167 C GLU A 15 -11.684 -8.018 -7.157 1.00 0.00 C ATOM 168 O GLU A 15 -10.803 -8.648 -6.573 1.00 0.00 O ATOM 169 CB GLU A 15 -11.635 -6.740 -9.308 1.00 0.00 C ATOM 170 CG GLU A 15 -10.986 -6.795 -10.681 1.00 0.00 C ATOM 171 CD GLU A 15 -9.794 -7.731 -10.725 1.00 0.00 C ATOM 172 OE1 GLU A 15 -8.977 -7.699 -9.781 1.00 0.00 O ATOM 173 OE2 GLU A 15 -9.677 -8.497 -11.705 1.00 0.00 O ATOM 0 H GLU A 15 -13.660 -8.093 -9.716 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.087 -8.802 -9.055 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.599 -6.239 -9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.016 -6.133 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.724 -7.118 -11.415 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.667 -5.793 -10.969 1.00 0.00 H new ATOM 180 N GLN A 16 -12.543 -7.222 -6.529 1.00 0.00 N ATOM 181 CA GLN A 16 -12.498 -7.040 -5.083 1.00 0.00 C ATOM 182 C GLN A 16 -12.380 -8.382 -4.369 1.00 0.00 C ATOM 183 O GLN A 16 -11.363 -8.674 -3.741 1.00 0.00 O ATOM 184 CB GLN A 16 -13.748 -6.301 -4.602 1.00 0.00 C ATOM 185 CG GLN A 16 -14.018 -5.008 -5.354 1.00 0.00 C ATOM 186 CD GLN A 16 -15.169 -4.218 -4.764 1.00 0.00 C ATOM 187 OE1 GLN A 16 -14.868 -3.041 -4.229 1.00 0.00 O flip ATOM 188 NE2 GLN A 16 -16.318 -4.661 -4.788 1.00 0.00 N flip ATOM 0 H GLN A 16 -13.278 -6.693 -6.998 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.617 -6.444 -4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.611 -6.959 -4.706 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.642 -6.079 -3.540 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.118 -4.393 -5.345 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.237 -5.238 -6.397 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.505 -5.571 -5.209 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.082 -4.118 -4.387 1.00 0.00 H new ATOM 197 N ALA A 17 -13.427 -9.194 -4.469 1.00 0.00 N ATOM 198 CA ALA A 17 -13.440 -10.506 -3.834 1.00 0.00 C ATOM 199 C ALA A 17 -12.110 -11.225 -4.032 1.00 0.00 C ATOM 200 O ALA A 17 -11.460 -11.626 -3.067 1.00 0.00 O ATOM 201 CB ALA A 17 -14.584 -11.347 -4.382 1.00 0.00 C ATOM 0 H ALA A 17 -14.278 -8.966 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.590 -10.363 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.581 -12.324 -3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.532 -10.846 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.460 -11.474 -5.457 1.00 0.00 H new ATOM 207 N ASP A 18 -11.712 -11.385 -5.289 1.00 0.00 N ATOM 208 CA ASP A 18 -10.458 -12.056 -5.615 1.00 0.00 C ATOM 209 C ASP A 18 -9.294 -11.430 -4.854 1.00 0.00 C ATOM 210 O ASP A 18 -8.368 -12.125 -4.435 1.00 0.00 O ATOM 211 CB ASP A 18 -10.195 -11.989 -7.120 1.00 0.00 C ATOM 212 CG ASP A 18 -10.799 -13.163 -7.866 1.00 0.00 C ATOM 213 OD1 ASP A 18 -12.017 -13.396 -7.719 1.00 0.00 O ATOM 214 OD2 ASP A 18 -10.054 -13.847 -8.597 1.00 0.00 O ATOM 0 H ASP A 18 -12.239 -11.059 -6.099 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.545 -13.101 -5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.605 -11.060 -7.517 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.120 -11.964 -7.297 1.00 0.00 H new ATOM 219 N ALA A 19 -9.346 -10.114 -4.680 1.00 0.00 N ATOM 220 CA ALA A 19 -8.297 -9.395 -3.968 1.00 0.00 C ATOM 221 C ALA A 19 -8.196 -9.861 -2.520 1.00 0.00 C ATOM 222 O ALA A 19 -7.146 -10.334 -2.082 1.00 0.00 O ATOM 223 CB ALA A 19 -8.552 -7.896 -4.026 1.00 0.00 C ATOM 0 H ALA A 19 -10.104 -9.524 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.347 -9.610 -4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.761 -7.371 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.565 -7.569 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.513 -7.672 -3.564 1.00 0.00 H new ATOM 229 N ILE A 20 -9.292 -9.724 -1.782 1.00 0.00 N ATOM 230 CA ILE A 20 -9.326 -10.133 -0.383 1.00 0.00 C ATOM 231 C ILE A 20 -8.966 -11.607 -0.231 1.00 0.00 C ATOM 232 O ILE A 20 -8.302 -11.999 0.728 1.00 0.00 O ATOM 233 CB ILE A 20 -10.712 -9.887 0.242 1.00 0.00 C ATOM 234 CG1 ILE A 20 -11.025 -8.390 0.270 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.772 -10.473 1.645 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.792 -7.910 -0.942 1.00 0.00 C ATOM 0 H ILE A 20 -10.168 -9.333 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.587 -9.526 0.141 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.464 -10.384 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.601 -8.164 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.091 -7.833 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.758 -10.291 2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.589 -11.547 1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.013 -10.002 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -11.979 -6.840 -0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.209 -8.104 -1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.742 -8.440 -1.005 1.00 0.00 H new ATOM 248 N ARG A 21 -9.408 -12.419 -1.186 1.00 0.00 N ATOM 249 CA ARG A 21 -9.132 -13.850 -1.160 1.00 0.00 C ATOM 250 C ARG A 21 -7.636 -14.119 -1.296 1.00 0.00 C ATOM 251 O ARG A 21 -7.092 -15.006 -0.639 1.00 0.00 O ATOM 252 CB ARG A 21 -9.893 -14.559 -2.282 1.00 0.00 C ATOM 253 CG ARG A 21 -9.169 -15.776 -2.834 1.00 0.00 C ATOM 254 CD ARG A 21 -9.849 -16.308 -4.086 1.00 0.00 C ATOM 255 NE ARG A 21 -11.241 -16.674 -3.840 1.00 0.00 N ATOM 256 CZ ARG A 21 -12.144 -16.818 -4.803 1.00 0.00 C ATOM 257 NH1 ARG A 21 -11.804 -16.627 -6.070 1.00 0.00 N ATOM 258 NH2 ARG A 21 -13.392 -17.153 -4.499 1.00 0.00 N ATOM 0 H ARG A 21 -9.959 -12.110 -1.987 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.468 -14.241 -0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.870 -14.866 -1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.069 -13.852 -3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.136 -15.513 -3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.138 -16.558 -2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.806 -15.552 -4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.305 -17.179 -4.452 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.536 -16.827 -2.876 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.846 -16.369 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.500 -16.738 -6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.658 -17.300 -3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.085 -17.263 -5.239 1.00 0.00 H new ATOM 272 N ARG A 22 -6.978 -13.346 -2.154 1.00 0.00 N ATOM 273 CA ARG A 22 -5.545 -13.501 -2.378 1.00 0.00 C ATOM 274 C ARG A 22 -4.749 -12.981 -1.185 1.00 0.00 C ATOM 275 O ARG A 22 -3.779 -13.606 -0.754 1.00 0.00 O ATOM 276 CB ARG A 22 -5.123 -12.761 -3.649 1.00 0.00 C ATOM 277 CG ARG A 22 -5.381 -13.546 -4.925 1.00 0.00 C ATOM 278 CD ARG A 22 -4.192 -14.421 -5.290 1.00 0.00 C ATOM 279 NE ARG A 22 -4.555 -15.469 -6.240 1.00 0.00 N ATOM 280 CZ ARG A 22 -5.082 -16.635 -5.882 1.00 0.00 C ATOM 281 NH1 ARG A 22 -5.306 -16.900 -4.603 1.00 0.00 N ATOM 282 NH2 ARG A 22 -5.386 -17.538 -6.806 1.00 0.00 N ATOM 0 H ARG A 22 -7.414 -12.607 -2.705 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.334 -14.564 -2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.658 -11.813 -3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.061 -12.525 -3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.267 -14.168 -4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.591 -12.856 -5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.404 -13.801 -5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.786 -14.876 -4.387 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.395 -15.296 -7.233 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.074 -16.208 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.711 -17.796 -4.331 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.215 -17.337 -7.791 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.791 -18.433 -6.531 1.00 0.00 H new ATOM 296 N ILE A 23 -5.164 -11.835 -0.658 1.00 0.00 N ATOM 297 CA ILE A 23 -4.490 -11.232 0.485 1.00 0.00 C ATOM 298 C ILE A 23 -4.511 -12.165 1.691 1.00 0.00 C ATOM 299 O ILE A 23 -3.506 -12.321 2.385 1.00 0.00 O ATOM 300 CB ILE A 23 -5.137 -9.890 0.877 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.009 -8.883 -0.268 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.497 -9.344 2.145 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.690 -7.562 0.011 1.00 0.00 C ATOM 0 H ILE A 23 -5.964 -11.305 -1.004 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.458 -11.054 0.184 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.196 -10.057 1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.952 -8.703 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.434 -9.318 -1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.965 -8.396 2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.636 -10.056 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.431 -9.189 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.559 -6.897 -0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.754 -7.730 0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.249 -7.105 0.897 1.00 0.00 H new ATOM 315 N ARG A 24 -5.661 -12.784 1.933 1.00 0.00 N ATOM 316 CA ARG A 24 -5.813 -13.703 3.055 1.00 0.00 C ATOM 317 C ARG A 24 -5.100 -15.023 2.777 1.00 0.00 C ATOM 318 O ARG A 24 -4.814 -15.791 3.695 1.00 0.00 O ATOM 319 CB ARG A 24 -7.295 -13.961 3.333 1.00 0.00 C ATOM 320 CG ARG A 24 -8.040 -14.567 2.155 1.00 0.00 C ATOM 321 CD ARG A 24 -9.544 -14.401 2.303 1.00 0.00 C ATOM 322 NE ARG A 24 -10.282 -15.444 1.595 1.00 0.00 N ATOM 323 CZ ARG A 24 -11.591 -15.633 1.720 1.00 0.00 C ATOM 324 NH1 ARG A 24 -12.302 -14.853 2.522 1.00 0.00 N ATOM 325 NH2 ARG A 24 -12.190 -16.604 1.043 1.00 0.00 N ATOM 0 H ARG A 24 -6.502 -12.666 1.367 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.360 -13.243 3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.384 -14.628 4.190 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.773 -13.021 3.609 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.710 -14.093 1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.796 -15.626 2.074 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.809 -14.423 3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.840 -13.424 1.921 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.764 -16.061 0.970 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.844 -14.106 3.044 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.307 -15.000 2.617 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.645 -17.206 0.426 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.195 -16.748 1.140 1.00 0.00 H new ATOM 339 N ASN A 25 -4.816 -15.280 1.504 1.00 0.00 N ATOM 340 CA ASN A 25 -4.137 -16.507 1.105 1.00 0.00 C ATOM 341 C ASN A 25 -2.779 -16.199 0.481 1.00 0.00 C ATOM 342 O ASN A 25 -2.178 -17.050 -0.175 1.00 0.00 O ATOM 343 CB ASN A 25 -4.999 -17.293 0.115 1.00 0.00 C ATOM 344 CG ASN A 25 -6.110 -18.063 0.801 1.00 0.00 C ATOM 345 OD1 ASN A 25 -5.912 -19.192 1.250 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.288 -17.454 0.885 1.00 0.00 N ATOM 0 H ASN A 25 -5.046 -14.655 0.732 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.978 -17.112 1.998 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.432 -16.605 -0.611 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.368 -17.987 -0.440 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.074 -17.923 1.336 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.407 -16.517 0.499 1.00 0.00 H new ATOM 353 N SER A 26 -2.301 -14.977 0.690 1.00 0.00 N ATOM 354 CA SER A 26 -1.016 -14.555 0.145 1.00 0.00 C ATOM 355 C SER A 26 0.137 -15.149 0.949 1.00 0.00 C ATOM 356 O SER A 26 -0.018 -15.485 2.124 1.00 0.00 O ATOM 357 CB SER A 26 -0.916 -13.028 0.142 1.00 0.00 C ATOM 358 OG SER A 26 -0.926 -12.513 1.462 1.00 0.00 O ATOM 0 H SER A 26 -2.784 -14.261 1.233 1.00 0.00 H new ATOM 0 HA SER A 26 -0.947 -14.919 -0.880 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.001 -12.722 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.748 -12.607 -0.422 1.00 0.00 H new ATOM 0 HG SER A 26 -1.849 -12.462 1.786 1.00 0.00 H new ATOM 364 N LYS A 27 1.293 -15.278 0.308 1.00 0.00 N ATOM 365 CA LYS A 27 2.474 -15.831 0.961 1.00 0.00 C ATOM 366 C LYS A 27 3.462 -14.727 1.324 1.00 0.00 C ATOM 367 O LYS A 27 4.419 -14.956 2.063 1.00 0.00 O ATOM 368 CB LYS A 27 3.151 -16.858 0.051 1.00 0.00 C ATOM 369 CG LYS A 27 2.190 -17.570 -0.884 1.00 0.00 C ATOM 370 CD LYS A 27 2.672 -18.972 -1.218 1.00 0.00 C ATOM 371 CE LYS A 27 3.691 -18.957 -2.346 1.00 0.00 C ATOM 372 NZ LYS A 27 4.986 -18.361 -1.916 1.00 0.00 N ATOM 0 H LYS A 27 1.438 -15.007 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 27 2.154 -16.324 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.917 -16.357 -0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.659 -17.599 0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.204 -17.624 -0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.081 -16.994 -1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.115 -19.426 -0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.822 -19.592 -1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.859 -19.975 -2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.292 -18.391 -3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.767 -18.828 -2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.991 -17.345 -2.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.106 -18.493 -0.891 1.00 0.00 H new ATOM 386 N ASP A 28 3.223 -13.530 0.800 1.00 0.00 N ATOM 387 CA ASP A 28 4.091 -12.389 1.071 1.00 0.00 C ATOM 388 C ASP A 28 3.444 -11.090 0.599 1.00 0.00 C ATOM 389 O ASP A 28 2.530 -11.104 -0.225 1.00 0.00 O ATOM 390 CB ASP A 28 5.445 -12.578 0.385 1.00 0.00 C ATOM 391 CG ASP A 28 6.415 -13.379 1.230 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.928 -12.829 2.228 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.661 -14.556 0.895 1.00 0.00 O ATOM 0 H ASP A 28 2.436 -13.324 0.185 1.00 0.00 H new ATOM 0 HA ASP A 28 4.244 -12.327 2.148 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.298 -13.082 -0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.878 -11.602 0.167 1.00 0.00 H new ATOM 398 N SER A 29 3.926 -9.970 1.128 1.00 0.00 N ATOM 399 CA SER A 29 3.392 -8.662 0.765 1.00 0.00 C ATOM 400 C SER A 29 3.389 -8.478 -0.750 1.00 0.00 C ATOM 401 O SER A 29 2.467 -7.887 -1.312 1.00 0.00 O ATOM 402 CB SER A 29 4.212 -7.552 1.424 1.00 0.00 C ATOM 403 OG SER A 29 4.352 -7.779 2.815 1.00 0.00 O ATOM 0 H SER A 29 4.685 -9.942 1.809 1.00 0.00 H new ATOM 0 HA SER A 29 2.364 -8.605 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.197 -7.499 0.960 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.728 -6.590 1.256 1.00 0.00 H new ATOM 0 HG SER A 29 4.881 -7.057 3.213 1.00 0.00 H new ATOM 409 N TRP A 30 4.427 -8.988 -1.403 1.00 0.00 N ATOM 410 CA TRP A 30 4.545 -8.880 -2.853 1.00 0.00 C ATOM 411 C TRP A 30 3.237 -9.264 -3.536 1.00 0.00 C ATOM 412 O TRP A 30 2.773 -8.571 -4.442 1.00 0.00 O ATOM 413 CB TRP A 30 5.680 -9.771 -3.360 1.00 0.00 C ATOM 414 CG TRP A 30 6.960 -9.591 -2.601 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.726 -10.574 -2.042 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.622 -8.354 -2.317 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.824 -10.022 -1.427 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.784 -8.662 -1.583 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.348 -7.016 -2.614 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.667 -7.680 -1.141 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.225 -6.043 -2.175 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.374 -6.379 -1.446 1.00 0.00 C ATOM 0 H TRP A 30 5.198 -9.480 -0.952 1.00 0.00 H new ATOM 0 HA TRP A 30 4.770 -7.842 -3.098 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.371 -10.814 -3.294 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.858 -9.557 -4.414 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.502 -11.630 -2.078 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.551 -10.541 -0.934 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.466 -6.747 -3.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.552 -7.936 -0.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.022 -5.006 -2.397 1.00 0.00 H new ATOM 0 HH2 TRP A 30 10.041 -5.595 -1.119 1.00 0.00 H new ATOM 433 N ASP A 31 2.648 -10.370 -3.096 1.00 0.00 N ATOM 434 CA ASP A 31 1.392 -10.845 -3.665 1.00 0.00 C ATOM 435 C ASP A 31 0.244 -9.906 -3.307 1.00 0.00 C ATOM 436 O ASP A 31 -0.555 -9.530 -4.165 1.00 0.00 O ATOM 437 CB ASP A 31 1.085 -12.259 -3.169 1.00 0.00 C ATOM 438 CG ASP A 31 0.234 -13.044 -4.148 1.00 0.00 C ATOM 439 OD1 ASP A 31 -0.661 -12.438 -4.774 1.00 0.00 O ATOM 440 OD2 ASP A 31 0.461 -14.264 -4.287 1.00 0.00 O ATOM 0 H ASP A 31 3.020 -10.955 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 31 1.497 -10.864 -4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.020 -12.792 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.570 -12.201 -2.210 1.00 0.00 H new ATOM 445 N MET A 32 0.167 -9.533 -2.033 1.00 0.00 N ATOM 446 CA MET A 32 -0.884 -8.638 -1.562 1.00 0.00 C ATOM 447 C MET A 32 -0.927 -7.363 -2.398 1.00 0.00 C ATOM 448 O MET A 32 -1.903 -7.103 -3.103 1.00 0.00 O ATOM 449 CB MET A 32 -0.663 -8.289 -0.089 1.00 0.00 C ATOM 450 CG MET A 32 -1.356 -9.242 0.872 1.00 0.00 C ATOM 451 SD MET A 32 -0.915 -8.936 2.593 1.00 0.00 S ATOM 452 CE MET A 32 0.486 -10.034 2.785 1.00 0.00 C ATOM 0 H MET A 32 0.819 -9.836 -1.310 1.00 0.00 H new ATOM 0 HA MET A 32 -1.839 -9.152 -1.667 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.407 -8.290 0.120 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.023 -7.276 0.094 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.436 -9.148 0.755 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.096 -10.268 0.611 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.187 -10.908 3.363 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.837 -10.351 1.803 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.289 -9.512 3.306 1.00 0.00 H new ATOM 462 N LEU A 33 0.135 -6.570 -2.314 1.00 0.00 N ATOM 463 CA LEU A 33 0.218 -5.320 -3.063 1.00 0.00 C ATOM 464 C LEU A 33 0.203 -5.584 -4.565 1.00 0.00 C ATOM 465 O LEU A 33 -0.306 -4.777 -5.342 1.00 0.00 O ATOM 466 CB LEU A 33 1.487 -4.557 -2.680 1.00 0.00 C ATOM 467 CG LEU A 33 1.689 -4.295 -1.187 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.981 -3.530 -0.949 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.503 -3.532 -0.615 1.00 0.00 C ATOM 0 H LEU A 33 0.951 -6.770 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.653 -4.715 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.347 -5.114 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.481 -3.598 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 33 1.760 -5.255 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.107 -3.353 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.823 -4.113 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.940 -2.575 -1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.663 -3.354 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.401 -2.577 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.406 -4.117 -0.752 1.00 0.00 H new ATOM 481 N GLY A 34 0.764 -6.720 -4.967 1.00 0.00 N ATOM 482 CA GLY A 34 0.802 -7.071 -6.375 1.00 0.00 C ATOM 483 C GLY A 34 2.046 -6.551 -7.068 1.00 0.00 C ATOM 484 O GLY A 34 1.982 -6.083 -8.205 1.00 0.00 O ATOM 0 H GLY A 34 1.193 -7.404 -4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.759 -8.155 -6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.082 -6.669 -6.871 1.00 0.00 H new ATOM 488 N VAL A 35 3.182 -6.631 -6.382 1.00 0.00 N ATOM 489 CA VAL A 35 4.446 -6.163 -6.938 1.00 0.00 C ATOM 490 C VAL A 35 5.555 -7.185 -6.715 1.00 0.00 C ATOM 491 O VAL A 35 5.340 -8.228 -6.097 1.00 0.00 O ATOM 492 CB VAL A 35 4.869 -4.818 -6.319 1.00 0.00 C ATOM 493 CG1 VAL A 35 4.018 -3.685 -6.871 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.773 -4.877 -4.802 1.00 0.00 C ATOM 0 H VAL A 35 3.253 -7.016 -5.440 1.00 0.00 H new ATOM 0 HA VAL A 35 4.290 -6.027 -8.008 1.00 0.00 H new ATOM 0 HB VAL A 35 5.907 -4.625 -6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.331 -2.742 -6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.142 -3.631 -7.953 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.970 -3.869 -6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.076 -3.918 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.745 -5.093 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.429 -5.662 -4.426 1.00 0.00 H new ATOM 504 N LYS A 36 6.745 -6.878 -7.221 1.00 0.00 N ATOM 505 CA LYS A 36 7.891 -7.767 -7.076 1.00 0.00 C ATOM 506 C LYS A 36 8.855 -7.244 -6.016 1.00 0.00 C ATOM 507 O LYS A 36 8.906 -6.049 -5.724 1.00 0.00 O ATOM 508 CB LYS A 36 8.620 -7.916 -8.413 1.00 0.00 C ATOM 509 CG LYS A 36 9.026 -6.592 -9.035 1.00 0.00 C ATOM 510 CD LYS A 36 10.355 -6.102 -8.485 1.00 0.00 C ATOM 511 CE LYS A 36 11.506 -6.989 -8.933 1.00 0.00 C ATOM 512 NZ LYS A 36 12.803 -6.258 -8.934 1.00 0.00 N ATOM 0 H LYS A 36 6.941 -6.019 -7.736 1.00 0.00 H new ATOM 0 HA LYS A 36 7.523 -8.743 -6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.511 -8.527 -8.266 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.977 -8.453 -9.110 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.098 -6.704 -10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.254 -5.847 -8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.532 -5.079 -8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.313 -6.081 -7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.577 -7.853 -8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.303 -7.369 -9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.562 -6.898 -9.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.745 -5.448 -9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.010 -5.917 -7.974 1.00 0.00 H new ATOM 526 N PRO A 37 9.640 -8.158 -5.425 1.00 0.00 N ATOM 527 CA PRO A 37 10.617 -7.812 -4.390 1.00 0.00 C ATOM 528 C PRO A 37 11.794 -7.017 -4.947 1.00 0.00 C ATOM 529 O PRO A 37 12.485 -7.470 -5.858 1.00 0.00 O ATOM 530 CB PRO A 37 11.088 -9.174 -3.875 1.00 0.00 C ATOM 531 CG PRO A 37 10.856 -10.109 -5.012 1.00 0.00 C ATOM 532 CD PRO A 37 9.633 -9.600 -5.724 1.00 0.00 C ATOM 0 HA PRO A 37 10.184 -7.176 -3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.140 -9.148 -3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.528 -9.479 -2.991 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.716 -10.131 -5.681 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.704 -11.128 -4.655 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.685 -9.788 -6.796 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.726 -10.082 -5.359 1.00 0.00 H new ATOM 540 N GLY A 38 12.017 -5.830 -4.391 1.00 0.00 N ATOM 541 CA GLY A 38 13.112 -4.992 -4.845 1.00 0.00 C ATOM 542 C GLY A 38 12.641 -3.635 -5.330 1.00 0.00 C ATOM 543 O GLY A 38 13.447 -2.730 -5.540 1.00 0.00 O ATOM 0 H GLY A 38 11.459 -5.434 -3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.824 -4.856 -4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.643 -5.498 -5.651 1.00 0.00 H new ATOM 547 N ALA A 39 11.331 -3.495 -5.509 1.00 0.00 N ATOM 548 CA ALA A 39 10.754 -2.239 -5.972 1.00 0.00 C ATOM 549 C ALA A 39 11.050 -1.106 -4.995 1.00 0.00 C ATOM 550 O ALA A 39 11.469 -1.343 -3.862 1.00 0.00 O ATOM 551 CB ALA A 39 9.253 -2.389 -6.170 1.00 0.00 C ATOM 0 H ALA A 39 10.650 -4.236 -5.340 1.00 0.00 H new ATOM 0 HA ALA A 39 11.212 -1.988 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.835 -1.443 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.059 -3.164 -6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.787 -2.667 -5.225 1.00 0.00 H new ATOM 557 N SER A 40 10.831 0.127 -5.441 1.00 0.00 N ATOM 558 CA SER A 40 11.078 1.297 -4.608 1.00 0.00 C ATOM 559 C SER A 40 9.782 1.801 -3.979 1.00 0.00 C ATOM 560 O SER A 40 8.695 1.325 -4.307 1.00 0.00 O ATOM 561 CB SER A 40 11.724 2.411 -5.434 1.00 0.00 C ATOM 562 OG SER A 40 13.137 2.312 -5.408 1.00 0.00 O ATOM 0 H SER A 40 10.483 0.341 -6.375 1.00 0.00 H new ATOM 0 HA SER A 40 11.759 1.005 -3.809 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.371 2.355 -6.464 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.417 3.382 -5.044 1.00 0.00 H new ATOM 0 HG SER A 40 13.525 3.034 -5.945 1.00 0.00 H new ATOM 568 N ARG A 41 9.907 2.766 -3.075 1.00 0.00 N ATOM 569 CA ARG A 41 8.746 3.334 -2.399 1.00 0.00 C ATOM 570 C ARG A 41 7.687 3.767 -3.408 1.00 0.00 C ATOM 571 O ARG A 41 6.494 3.544 -3.205 1.00 0.00 O ATOM 572 CB ARG A 41 9.164 4.528 -1.538 1.00 0.00 C ATOM 573 CG ARG A 41 8.005 5.193 -0.815 1.00 0.00 C ATOM 574 CD ARG A 41 8.490 6.053 0.342 1.00 0.00 C ATOM 575 NE ARG A 41 7.448 6.260 1.344 1.00 0.00 N ATOM 576 CZ ARG A 41 7.698 6.569 2.612 1.00 0.00 C ATOM 577 NH1 ARG A 41 8.949 6.706 3.029 1.00 0.00 N ATOM 578 NH2 ARG A 41 6.696 6.741 3.464 1.00 0.00 N ATOM 0 H ARG A 41 10.800 3.171 -2.793 1.00 0.00 H new ATOM 0 HA ARG A 41 8.318 2.564 -1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.897 4.196 -0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.658 5.266 -2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.442 5.809 -1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.322 4.430 -0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.353 5.579 0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.824 7.018 -0.039 1.00 0.00 H new ATOM 0 HE ARG A 41 6.475 6.162 1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.722 6.574 2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.139 6.943 4.003 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.733 6.636 3.146 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.889 6.978 4.437 1.00 0.00 H new ATOM 592 N ASP A 42 8.132 4.388 -4.495 1.00 0.00 N ATOM 593 CA ASP A 42 7.223 4.852 -5.537 1.00 0.00 C ATOM 594 C ASP A 42 6.383 3.699 -6.078 1.00 0.00 C ATOM 595 O ASP A 42 5.167 3.818 -6.217 1.00 0.00 O ATOM 596 CB ASP A 42 8.009 5.506 -6.675 1.00 0.00 C ATOM 597 CG ASP A 42 7.107 6.197 -7.678 1.00 0.00 C ATOM 598 OD1 ASP A 42 6.268 5.507 -8.295 1.00 0.00 O ATOM 599 OD2 ASP A 42 7.241 7.427 -7.848 1.00 0.00 O ATOM 0 H ASP A 42 9.117 4.582 -4.678 1.00 0.00 H new ATOM 0 HA ASP A 42 6.553 5.591 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.709 6.231 -6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.602 4.748 -7.186 1.00 0.00 H new ATOM 604 N GLU A 43 7.042 2.586 -6.384 1.00 0.00 N ATOM 605 CA GLU A 43 6.356 1.413 -6.912 1.00 0.00 C ATOM 606 C GLU A 43 5.372 0.852 -5.889 1.00 0.00 C ATOM 607 O GLU A 43 4.166 0.809 -6.130 1.00 0.00 O ATOM 608 CB GLU A 43 7.368 0.336 -7.307 1.00 0.00 C ATOM 609 CG GLU A 43 7.840 0.443 -8.747 1.00 0.00 C ATOM 610 CD GLU A 43 6.695 0.394 -9.741 1.00 0.00 C ATOM 611 OE1 GLU A 43 6.116 1.462 -10.030 1.00 0.00 O ATOM 612 OE2 GLU A 43 6.379 -0.711 -10.229 1.00 0.00 O ATOM 0 H GLU A 43 8.050 2.472 -6.275 1.00 0.00 H new ATOM 0 HA GLU A 43 5.799 1.718 -7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.231 0.400 -6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.920 -0.646 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.390 1.375 -8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.535 -0.369 -8.959 1.00 0.00 H new ATOM 619 N VAL A 44 5.898 0.421 -4.747 1.00 0.00 N ATOM 620 CA VAL A 44 5.068 -0.137 -3.686 1.00 0.00 C ATOM 621 C VAL A 44 3.872 0.762 -3.392 1.00 0.00 C ATOM 622 O VAL A 44 2.765 0.282 -3.153 1.00 0.00 O ATOM 623 CB VAL A 44 5.874 -0.340 -2.390 1.00 0.00 C ATOM 624 CG1 VAL A 44 5.011 -0.992 -1.320 1.00 0.00 C ATOM 625 CG2 VAL A 44 7.119 -1.171 -2.662 1.00 0.00 C ATOM 0 H VAL A 44 6.895 0.448 -4.533 1.00 0.00 H new ATOM 0 HA VAL A 44 4.713 -1.105 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 44 6.190 0.636 -2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.598 -1.127 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.153 -0.354 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.663 -1.962 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.677 -1.305 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.828 -2.145 -3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.746 -0.659 -3.392 1.00 0.00 H new ATOM 635 N ASN A 45 4.104 2.071 -3.413 1.00 0.00 N ATOM 636 CA ASN A 45 3.046 3.039 -3.149 1.00 0.00 C ATOM 637 C ASN A 45 2.042 3.074 -4.297 1.00 0.00 C ATOM 638 O ASN A 45 0.831 3.087 -4.078 1.00 0.00 O ATOM 639 CB ASN A 45 3.642 4.431 -2.934 1.00 0.00 C ATOM 640 CG ASN A 45 4.068 4.662 -1.497 1.00 0.00 C ATOM 641 OD1 ASN A 45 3.647 3.944 -0.590 1.00 0.00 O ATOM 642 ND2 ASN A 45 4.908 5.669 -1.283 1.00 0.00 N ATOM 0 H ASN A 45 5.015 2.485 -3.610 1.00 0.00 H new ATOM 0 HA ASN A 45 2.524 2.731 -2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.503 4.560 -3.590 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.908 5.185 -3.218 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.230 5.873 -0.337 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.231 6.238 -2.065 1.00 0.00 H new ATOM 649 N LYS A 46 2.555 3.091 -5.523 1.00 0.00 N ATOM 650 CA LYS A 46 1.705 3.123 -6.708 1.00 0.00 C ATOM 651 C LYS A 46 0.711 1.967 -6.696 1.00 0.00 C ATOM 652 O LYS A 46 -0.465 2.144 -7.014 1.00 0.00 O ATOM 653 CB LYS A 46 2.560 3.061 -7.976 1.00 0.00 C ATOM 654 CG LYS A 46 3.067 4.418 -8.434 1.00 0.00 C ATOM 655 CD LYS A 46 1.946 5.266 -9.011 1.00 0.00 C ATOM 656 CE LYS A 46 1.667 4.909 -10.463 1.00 0.00 C ATOM 657 NZ LYS A 46 0.445 5.587 -10.976 1.00 0.00 N ATOM 0 H LYS A 46 3.555 3.083 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 46 1.147 4.059 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.412 2.405 -7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.974 2.612 -8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.523 4.940 -7.593 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.845 4.282 -9.185 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.041 5.125 -8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.212 6.321 -8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.523 5.190 -11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.549 3.829 -10.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.289 5.318 -11.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.376 5.300 -10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.567 6.618 -10.912 1.00 0.00 H new ATOM 671 N ALA A 47 1.190 0.784 -6.326 1.00 0.00 N ATOM 672 CA ALA A 47 0.342 -0.400 -6.270 1.00 0.00 C ATOM 673 C ALA A 47 -0.552 -0.377 -5.035 1.00 0.00 C ATOM 674 O ALA A 47 -1.720 -0.762 -5.094 1.00 0.00 O ATOM 675 CB ALA A 47 1.194 -1.661 -6.283 1.00 0.00 C ATOM 0 H ALA A 47 2.161 0.620 -6.061 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.299 -0.399 -7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.547 -2.537 -6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.786 -1.691 -7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.860 -1.659 -5.420 1.00 0.00 H new ATOM 681 N TYR A 48 0.003 0.077 -3.917 1.00 0.00 N ATOM 682 CA TYR A 48 -0.744 0.148 -2.666 1.00 0.00 C ATOM 683 C TYR A 48 -1.951 1.071 -2.804 1.00 0.00 C ATOM 684 O TYR A 48 -2.986 0.856 -2.173 1.00 0.00 O ATOM 685 CB TYR A 48 0.161 0.640 -1.535 1.00 0.00 C ATOM 686 CG TYR A 48 -0.578 1.395 -0.454 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.145 0.727 0.625 1.00 0.00 C ATOM 688 CD2 TYR A 48 -0.711 2.777 -0.511 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.821 1.413 1.615 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.385 3.471 0.475 1.00 0.00 C ATOM 691 CZ TYR A 48 -1.938 2.785 1.536 1.00 0.00 C ATOM 692 OH TYR A 48 -2.611 3.473 2.519 1.00 0.00 O ATOM 0 H TYR A 48 0.968 0.402 -3.851 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.101 -0.854 -2.428 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.667 -0.215 -1.088 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.934 1.285 -1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.055 -0.347 0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.280 3.318 -1.341 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.256 0.878 2.446 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.478 4.545 0.415 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.601 4.431 2.313 1.00 0.00 H new ATOM 702 N ARG A 49 -1.810 2.099 -3.635 1.00 0.00 N ATOM 703 CA ARG A 49 -2.888 3.055 -3.857 1.00 0.00 C ATOM 704 C ARG A 49 -4.005 2.433 -4.689 1.00 0.00 C ATOM 705 O ARG A 49 -5.127 2.260 -4.213 1.00 0.00 O ATOM 706 CB ARG A 49 -2.352 4.306 -4.556 1.00 0.00 C ATOM 707 CG ARG A 49 -1.628 5.263 -3.622 1.00 0.00 C ATOM 708 CD ARG A 49 -1.050 6.448 -4.379 1.00 0.00 C ATOM 709 NE ARG A 49 -0.852 7.607 -3.512 1.00 0.00 N ATOM 710 CZ ARG A 49 -1.806 8.487 -3.232 1.00 0.00 C ATOM 711 NH1 ARG A 49 -3.019 8.341 -3.748 1.00 0.00 N ATOM 712 NH2 ARG A 49 -1.549 9.516 -2.434 1.00 0.00 N ATOM 0 H ARG A 49 -0.960 2.291 -4.165 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.296 3.336 -2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.671 4.004 -5.352 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.182 4.831 -5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.319 5.620 -2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.827 4.734 -3.106 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.098 6.163 -4.826 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.719 6.717 -5.197 1.00 0.00 H new ATOM 0 HE ARG A 49 0.070 7.748 -3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.221 7.551 -4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.750 9.018 -3.531 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.617 9.632 -2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.283 10.191 -2.220 1.00 0.00 H new ATOM 726 N LYS A 50 -3.690 2.098 -5.936 1.00 0.00 N ATOM 727 CA LYS A 50 -4.665 1.494 -6.836 1.00 0.00 C ATOM 728 C LYS A 50 -5.444 0.388 -6.131 1.00 0.00 C ATOM 729 O LYS A 50 -6.643 0.221 -6.354 1.00 0.00 O ATOM 730 CB LYS A 50 -3.965 0.930 -8.075 1.00 0.00 C ATOM 731 CG LYS A 50 -3.002 -0.204 -7.766 1.00 0.00 C ATOM 732 CD LYS A 50 -2.424 -0.806 -9.036 1.00 0.00 C ATOM 733 CE LYS A 50 -1.721 -2.126 -8.757 1.00 0.00 C ATOM 734 NZ LYS A 50 -1.788 -3.047 -9.925 1.00 0.00 N ATOM 0 H LYS A 50 -2.766 2.235 -6.346 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.367 2.269 -7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.719 0.574 -8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.420 1.733 -8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.193 0.166 -7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.519 -0.977 -7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.222 -0.964 -9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.720 -0.105 -9.484 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.678 -1.936 -8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.177 -2.605 -7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.298 -3.935 -9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.783 -3.249 -10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.330 -2.601 -10.745 1.00 0.00 H new ATOM 748 N LEU A 51 -4.755 -0.364 -5.280 1.00 0.00 N ATOM 749 CA LEU A 51 -5.383 -1.454 -4.540 1.00 0.00 C ATOM 750 C LEU A 51 -6.315 -0.913 -3.461 1.00 0.00 C ATOM 751 O LEU A 51 -7.496 -1.257 -3.417 1.00 0.00 O ATOM 752 CB LEU A 51 -4.316 -2.349 -3.908 1.00 0.00 C ATOM 753 CG LEU A 51 -4.704 -3.813 -3.703 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.160 -4.433 -5.015 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.538 -4.597 -3.117 1.00 0.00 C ATOM 0 H LEU A 51 -3.762 -0.239 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.973 -2.044 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.424 -2.314 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.043 -1.927 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.534 -3.854 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.432 -5.475 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.025 -3.888 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.350 -4.381 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.832 -5.637 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.688 -4.548 -3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.258 -4.168 -2.155 1.00 0.00 H new ATOM 767 N ALA A 52 -5.777 -0.063 -2.593 1.00 0.00 N ATOM 768 CA ALA A 52 -6.561 0.529 -1.516 1.00 0.00 C ATOM 769 C ALA A 52 -7.916 1.010 -2.024 1.00 0.00 C ATOM 770 O ALA A 52 -8.950 0.740 -1.415 1.00 0.00 O ATOM 771 CB ALA A 52 -5.796 1.678 -0.876 1.00 0.00 C ATOM 0 H ALA A 52 -4.801 0.231 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.737 -0.239 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.393 2.111 -0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.856 1.307 -0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.590 2.441 -1.627 1.00 0.00 H new ATOM 777 N VAL A 53 -7.902 1.727 -3.144 1.00 0.00 N ATOM 778 CA VAL A 53 -9.130 2.246 -3.734 1.00 0.00 C ATOM 779 C VAL A 53 -10.112 1.120 -4.039 1.00 0.00 C ATOM 780 O VAL A 53 -11.327 1.295 -3.933 1.00 0.00 O ATOM 781 CB VAL A 53 -8.843 3.027 -5.030 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.130 3.597 -5.607 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.830 4.132 -4.773 1.00 0.00 C ATOM 0 H VAL A 53 -7.054 1.961 -3.660 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.572 2.921 -3.002 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.419 2.339 -5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.907 4.145 -6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.820 2.783 -5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.586 4.271 -4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.639 4.673 -5.700 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.224 4.820 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.900 3.695 -4.410 1.00 0.00 H new ATOM 793 N LEU A 54 -9.578 -0.036 -4.418 1.00 0.00 N ATOM 794 CA LEU A 54 -10.408 -1.193 -4.739 1.00 0.00 C ATOM 795 C LEU A 54 -10.954 -1.840 -3.470 1.00 0.00 C ATOM 796 O LEU A 54 -12.099 -2.292 -3.434 1.00 0.00 O ATOM 797 CB LEU A 54 -9.602 -2.216 -5.540 1.00 0.00 C ATOM 798 CG LEU A 54 -10.392 -3.393 -6.114 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.383 -2.910 -7.162 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.450 -4.431 -6.707 1.00 0.00 C ATOM 0 H LEU A 54 -8.575 -0.197 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.250 -0.850 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.111 -1.698 -6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.815 -2.611 -4.898 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.950 -3.860 -5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.936 -3.761 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.079 -2.205 -6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.845 -2.417 -7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.030 -5.261 -7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.864 -3.976 -7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.780 -4.800 -5.930 1.00 0.00 H new ATOM 812 N LEU A 55 -10.129 -1.878 -2.429 1.00 0.00 N ATOM 813 CA LEU A 55 -10.529 -2.467 -1.156 1.00 0.00 C ATOM 814 C LEU A 55 -11.086 -1.403 -0.215 1.00 0.00 C ATOM 815 O LEU A 55 -11.349 -1.673 0.957 1.00 0.00 O ATOM 816 CB LEU A 55 -9.340 -3.172 -0.502 1.00 0.00 C ATOM 817 CG LEU A 55 -8.495 -4.056 -1.420 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.146 -4.351 -0.783 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.230 -5.349 -1.739 1.00 0.00 C ATOM 0 H LEU A 55 -9.179 -1.508 -2.442 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.313 -3.198 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.691 -2.414 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.713 -3.786 0.317 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.324 -3.519 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.558 -4.981 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.615 -3.416 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.296 -4.868 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.614 -5.966 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.432 -5.890 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.171 -5.119 -2.238 1.00 0.00 H new ATOM 831 N HIS A 56 -11.264 -0.194 -0.737 1.00 0.00 N ATOM 832 CA HIS A 56 -11.793 0.911 0.056 1.00 0.00 C ATOM 833 C HIS A 56 -13.092 0.509 0.749 1.00 0.00 C ATOM 834 O HIS A 56 -13.929 -0.199 0.189 1.00 0.00 O ATOM 835 CB HIS A 56 -12.030 2.134 -0.829 1.00 0.00 C ATOM 836 CG HIS A 56 -11.841 3.437 -0.114 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.847 4.367 0.034 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.753 3.961 0.497 1.00 0.00 C ATOM 839 CE1 HIS A 56 -12.386 5.408 0.704 1.00 0.00 C ATOM 840 NE2 HIS A 56 -11.118 5.187 0.997 1.00 0.00 N ATOM 0 H HIS A 56 -11.050 0.046 -1.705 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.057 1.163 0.820 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.350 2.094 -1.680 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -13.043 2.092 -1.229 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.779 3.501 0.577 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.951 6.290 0.967 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.509 5.823 1.511 1.00 0.00 H new ATOM 848 N PRO A 57 -13.265 0.971 1.996 1.00 0.00 N ATOM 849 CA PRO A 57 -14.460 0.672 2.791 1.00 0.00 C ATOM 850 C PRO A 57 -15.704 1.372 2.254 1.00 0.00 C ATOM 851 O PRO A 57 -16.798 0.809 2.267 1.00 0.00 O ATOM 852 CB PRO A 57 -14.103 1.207 4.181 1.00 0.00 C ATOM 853 CG PRO A 57 -13.090 2.270 3.929 1.00 0.00 C ATOM 854 CD PRO A 57 -12.309 1.821 2.725 1.00 0.00 C ATOM 0 HA PRO A 57 -14.704 -0.390 2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.980 1.608 4.688 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.700 0.419 4.817 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.570 3.231 3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.437 2.399 4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.981 2.667 2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.415 1.267 3.010 1.00 0.00 H new ATOM 862 N ASP A 58 -15.528 2.601 1.783 1.00 0.00 N ATOM 863 CA ASP A 58 -16.637 3.378 1.240 1.00 0.00 C ATOM 864 C ASP A 58 -16.965 2.934 -0.183 1.00 0.00 C ATOM 865 O ASP A 58 -17.931 3.405 -0.784 1.00 0.00 O ATOM 866 CB ASP A 58 -16.300 4.869 1.257 1.00 0.00 C ATOM 867 CG ASP A 58 -17.333 5.705 0.527 1.00 0.00 C ATOM 868 OD1 ASP A 58 -18.541 5.463 0.729 1.00 0.00 O ATOM 869 OD2 ASP A 58 -16.934 6.600 -0.246 1.00 0.00 O ATOM 0 H ASP A 58 -14.628 3.081 1.766 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.512 3.205 1.867 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -16.225 5.210 2.290 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.323 5.023 0.799 1.00 0.00 H new ATOM 874 N LYS A 59 -16.154 2.026 -0.716 1.00 0.00 N ATOM 875 CA LYS A 59 -16.357 1.518 -2.067 1.00 0.00 C ATOM 876 C LYS A 59 -16.626 0.017 -2.049 1.00 0.00 C ATOM 877 O LYS A 59 -17.266 -0.519 -2.954 1.00 0.00 O ATOM 878 CB LYS A 59 -15.133 1.818 -2.936 1.00 0.00 C ATOM 879 CG LYS A 59 -14.781 3.294 -3.002 1.00 0.00 C ATOM 880 CD LYS A 59 -13.840 3.591 -4.157 1.00 0.00 C ATOM 881 CE LYS A 59 -13.879 5.061 -4.544 1.00 0.00 C ATOM 882 NZ LYS A 59 -13.407 5.281 -5.939 1.00 0.00 N ATOM 0 H LYS A 59 -15.350 1.627 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 59 -17.227 2.020 -2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.277 1.266 -2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.316 1.451 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.692 3.882 -3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.316 3.601 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.823 3.314 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.114 2.980 -5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.897 5.436 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.258 5.634 -3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.449 6.296 -6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.427 4.946 -6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.015 4.755 -6.598 1.00 0.00 H new ATOM 896 N CYS A 60 -16.134 -0.655 -1.014 1.00 0.00 N ATOM 897 CA CYS A 60 -16.322 -2.095 -0.879 1.00 0.00 C ATOM 898 C CYS A 60 -16.929 -2.439 0.478 1.00 0.00 C ATOM 899 O CYS A 60 -16.239 -2.436 1.497 1.00 0.00 O ATOM 900 CB CYS A 60 -14.989 -2.823 -1.054 1.00 0.00 C ATOM 901 SG CYS A 60 -15.139 -4.475 -1.774 1.00 0.00 S ATOM 0 H CYS A 60 -15.602 -0.226 -0.257 1.00 0.00 H new ATOM 0 HA CYS A 60 -17.011 -2.421 -1.658 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.338 -2.220 -1.687 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.502 -2.905 -0.082 1.00 0.00 H new ATOM 0 HG CYS A 60 -14.070 -5.165 -1.504 1.00 0.00 H new ATOM 907 N VAL A 61 -18.226 -2.734 0.482 1.00 0.00 N ATOM 908 CA VAL A 61 -18.926 -3.079 1.714 1.00 0.00 C ATOM 909 C VAL A 61 -18.719 -4.547 2.070 1.00 0.00 C ATOM 910 O VAL A 61 -19.373 -5.076 2.969 1.00 0.00 O ATOM 911 CB VAL A 61 -20.436 -2.798 1.598 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.686 -1.321 1.334 1.00 0.00 C ATOM 913 CG2 VAL A 61 -21.055 -3.656 0.504 1.00 0.00 C ATOM 0 H VAL A 61 -18.812 -2.741 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.507 -2.454 2.503 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.910 -3.058 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.758 -1.142 1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.279 -0.731 2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.200 -1.031 0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -22.122 -3.445 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.578 -3.429 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.908 -4.710 0.741 1.00 0.00 H new ATOM 923 N ALA A 62 -17.806 -5.200 1.360 1.00 0.00 N ATOM 924 CA ALA A 62 -17.510 -6.606 1.603 1.00 0.00 C ATOM 925 C ALA A 62 -16.988 -6.820 3.020 1.00 0.00 C ATOM 926 O ALA A 62 -16.436 -5.916 3.647 1.00 0.00 O ATOM 927 CB ALA A 62 -16.503 -7.118 0.585 1.00 0.00 C ATOM 0 H ALA A 62 -17.258 -4.777 0.611 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.437 -7.170 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.292 -8.170 0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.913 -7.010 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.581 -6.542 0.664 1.00 0.00 H new ATOM 933 N PRO A 63 -17.167 -8.045 3.538 1.00 0.00 N ATOM 934 CA PRO A 63 -16.721 -8.406 4.887 1.00 0.00 C ATOM 935 C PRO A 63 -15.201 -8.474 4.997 1.00 0.00 C ATOM 936 O PRO A 63 -14.622 -8.062 6.001 1.00 0.00 O ATOM 937 CB PRO A 63 -17.335 -9.791 5.105 1.00 0.00 C ATOM 938 CG PRO A 63 -17.513 -10.346 3.734 1.00 0.00 C ATOM 939 CD PRO A 63 -17.817 -9.171 2.847 1.00 0.00 C ATOM 0 HA PRO A 63 -17.027 -7.667 5.628 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -16.682 -10.423 5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.287 -9.724 5.632 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.612 -10.862 3.402 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.325 -11.073 3.710 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.417 -9.311 1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -18.890 -9.013 2.743 1.00 0.00 H new ATOM 947 N GLY A 64 -14.560 -8.996 3.955 1.00 0.00 N ATOM 948 CA GLY A 64 -13.113 -9.108 3.955 1.00 0.00 C ATOM 949 C GLY A 64 -12.432 -7.816 3.550 1.00 0.00 C ATOM 950 O GLY A 64 -11.319 -7.529 3.990 1.00 0.00 O ATOM 0 H GLY A 64 -15.017 -9.343 3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.774 -9.398 4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.813 -9.903 3.272 1.00 0.00 H new ATOM 954 N SER A 65 -13.101 -7.035 2.708 1.00 0.00 N ATOM 955 CA SER A 65 -12.550 -5.768 2.239 1.00 0.00 C ATOM 956 C SER A 65 -11.813 -5.047 3.363 1.00 0.00 C ATOM 957 O SER A 65 -10.725 -4.509 3.160 1.00 0.00 O ATOM 958 CB SER A 65 -13.665 -4.876 1.689 1.00 0.00 C ATOM 959 OG SER A 65 -14.401 -4.274 2.740 1.00 0.00 O ATOM 0 H SER A 65 -14.025 -7.257 2.337 1.00 0.00 H new ATOM 0 HA SER A 65 -11.839 -5.982 1.441 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.236 -4.103 1.052 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.334 -5.468 1.065 1.00 0.00 H new ATOM 0 HG SER A 65 -15.111 -4.883 3.033 1.00 0.00 H new ATOM 965 N GLU A 66 -12.415 -5.041 4.548 1.00 0.00 N ATOM 966 CA GLU A 66 -11.816 -4.385 5.705 1.00 0.00 C ATOM 967 C GLU A 66 -10.487 -5.038 6.073 1.00 0.00 C ATOM 968 O GLU A 66 -9.500 -4.353 6.341 1.00 0.00 O ATOM 969 CB GLU A 66 -12.771 -4.436 6.899 1.00 0.00 C ATOM 970 CG GLU A 66 -12.172 -3.884 8.182 1.00 0.00 C ATOM 971 CD GLU A 66 -12.417 -2.397 8.347 1.00 0.00 C ATOM 972 OE1 GLU A 66 -11.606 -1.601 7.830 1.00 0.00 O ATOM 973 OE2 GLU A 66 -13.420 -2.029 8.994 1.00 0.00 O ATOM 0 H GLU A 66 -13.316 -5.482 4.732 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.629 -3.343 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.672 -3.873 6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.076 -5.469 7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.596 -4.415 9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.099 -4.075 8.189 1.00 0.00 H new ATOM 980 N ASP A 67 -10.471 -6.367 6.085 1.00 0.00 N ATOM 981 CA ASP A 67 -9.264 -7.114 6.421 1.00 0.00 C ATOM 982 C ASP A 67 -8.188 -6.913 5.358 1.00 0.00 C ATOM 983 O ASP A 67 -7.006 -6.788 5.674 1.00 0.00 O ATOM 984 CB ASP A 67 -9.584 -8.602 6.565 1.00 0.00 C ATOM 985 CG ASP A 67 -8.542 -9.342 7.381 1.00 0.00 C ATOM 986 OD1 ASP A 67 -8.627 -9.305 8.626 1.00 0.00 O ATOM 987 OD2 ASP A 67 -7.642 -9.958 6.773 1.00 0.00 O ATOM 0 H ASP A 67 -11.280 -6.949 5.866 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.886 -6.738 7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.560 -8.717 7.037 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.654 -9.053 5.575 1.00 0.00 H new ATOM 992 N ALA A 68 -8.607 -6.884 4.097 1.00 0.00 N ATOM 993 CA ALA A 68 -7.680 -6.698 2.988 1.00 0.00 C ATOM 994 C ALA A 68 -6.966 -5.354 3.090 1.00 0.00 C ATOM 995 O ALA A 68 -5.739 -5.285 3.013 1.00 0.00 O ATOM 996 CB ALA A 68 -8.415 -6.807 1.661 1.00 0.00 C ATOM 0 H ALA A 68 -9.583 -6.987 3.818 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.928 -7.485 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.710 -6.666 0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.874 -7.792 1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.189 -6.041 1.610 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.741 -4.288 3.261 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.182 -2.946 3.372 1.00 0.00 C ATOM 1004 C PHE A 69 -6.138 -2.881 4.483 1.00 0.00 C ATOM 1005 O PHE A 69 -5.086 -2.261 4.327 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.293 -1.929 3.640 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.825 -0.502 3.584 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -7.228 0.000 2.440 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -7.984 0.336 4.676 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -6.797 1.313 2.385 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.555 1.649 4.627 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.960 2.137 3.480 1.00 0.00 C ATOM 0 H PHE A 69 -8.758 -4.328 3.326 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.696 -2.703 2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.089 -2.071 2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.724 -2.124 4.622 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.097 -0.641 1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.448 -0.041 5.575 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.334 1.693 1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.685 2.293 5.485 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.623 3.162 3.440 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.438 -3.525 5.606 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.527 -3.543 6.744 1.00 0.00 C ATOM 1024 C LYS A 70 -4.232 -4.269 6.394 1.00 0.00 C ATOM 1025 O LYS A 70 -3.139 -3.756 6.630 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.193 -4.217 7.946 1.00 0.00 C ATOM 1027 CG LYS A 70 -6.952 -3.252 8.841 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.101 -3.942 9.557 1.00 0.00 C ATOM 1029 CE LYS A 70 -7.618 -4.697 10.787 1.00 0.00 C ATOM 1030 NZ LYS A 70 -8.689 -4.828 11.813 1.00 0.00 N ATOM 0 H LYS A 70 -7.305 -4.041 5.752 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.286 -2.511 7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.880 -4.984 7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.430 -4.724 8.537 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.270 -2.822 9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.338 -2.427 8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.845 -3.202 9.852 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.594 -4.634 8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.274 -5.688 10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.763 -4.178 11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.321 -5.348 12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.000 -3.882 12.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.495 -5.346 11.409 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.363 -5.464 5.829 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.204 -6.259 5.443 1.00 0.00 C ATOM 1046 C ALA A 71 -2.314 -5.494 4.469 1.00 0.00 C ATOM 1047 O ALA A 71 -1.099 -5.416 4.652 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.648 -7.579 4.831 1.00 0.00 C ATOM 0 H ALA A 71 -5.261 -5.904 5.628 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.622 -6.466 6.341 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.772 -8.162 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.236 -8.138 5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.255 -7.384 3.947 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.927 -4.932 3.432 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.190 -4.173 2.429 1.00 0.00 C ATOM 1056 C VAL A 72 -1.224 -3.190 3.082 1.00 0.00 C ATOM 1057 O VAL A 72 -0.030 -3.186 2.783 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.143 -3.398 1.500 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.362 -2.687 0.405 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -4.182 -4.334 0.901 1.00 0.00 C ATOM 0 H VAL A 72 -3.932 -4.988 3.265 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.625 -4.895 1.839 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.663 -2.644 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.053 -2.145 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.660 -1.985 0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.813 -3.421 -0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.847 -3.769 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.682 -5.112 0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.763 -4.792 1.701 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.750 -2.359 3.976 1.00 0.00 N ATOM 1071 CA VAL A 73 -0.934 -1.372 4.674 1.00 0.00 C ATOM 1072 C VAL A 73 0.248 -2.032 5.374 1.00 0.00 C ATOM 1073 O VAL A 73 1.401 -1.676 5.135 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.762 -0.593 5.713 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -0.875 0.361 6.497 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -2.899 0.157 5.035 1.00 0.00 C ATOM 0 H VAL A 73 -2.737 -2.349 4.234 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.564 -0.677 3.920 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.196 -1.306 6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.478 0.902 7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.101 -0.205 7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.410 1.070 5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.473 0.702 5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.490 0.860 4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.550 -0.553 4.524 1.00 0.00 H new ATOM 1086 N ASN A 74 -0.047 -2.997 6.239 1.00 0.00 N ATOM 1087 CA ASN A 74 0.993 -3.708 6.974 1.00 0.00 C ATOM 1088 C ASN A 74 2.007 -4.330 6.019 1.00 0.00 C ATOM 1089 O ASN A 74 3.145 -4.603 6.398 1.00 0.00 O ATOM 1090 CB ASN A 74 0.372 -4.795 7.854 1.00 0.00 C ATOM 1091 CG ASN A 74 -0.028 -4.274 9.221 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.818 -3.846 10.006 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -1.323 -4.308 9.512 1.00 0.00 N ATOM 0 H ASN A 74 -0.997 -3.304 6.448 1.00 0.00 H new ATOM 0 HA ASN A 74 1.511 -2.988 7.607 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.505 -5.206 7.354 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.083 -5.612 7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.651 -3.971 10.417 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.989 -4.671 8.831 1.00 0.00 H new ATOM 1100 N ALA A 75 1.585 -4.549 4.778 1.00 0.00 N ATOM 1101 CA ALA A 75 2.457 -5.136 3.767 1.00 0.00 C ATOM 1102 C ALA A 75 3.320 -4.070 3.102 1.00 0.00 C ATOM 1103 O ALA A 75 4.512 -4.278 2.872 1.00 0.00 O ATOM 1104 CB ALA A 75 1.632 -5.876 2.725 1.00 0.00 C ATOM 0 H ALA A 75 0.645 -4.329 4.448 1.00 0.00 H new ATOM 0 HA ALA A 75 3.120 -5.846 4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.295 -6.309 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.063 -6.670 3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.946 -5.180 2.243 1.00 0.00 H new ATOM 1110 N ARG A 76 2.712 -2.929 2.794 1.00 0.00 N ATOM 1111 CA ARG A 76 3.426 -1.831 2.153 1.00 0.00 C ATOM 1112 C ARG A 76 4.378 -1.155 3.135 1.00 0.00 C ATOM 1113 O ARG A 76 5.598 -1.229 2.985 1.00 0.00 O ATOM 1114 CB ARG A 76 2.435 -0.806 1.598 1.00 0.00 C ATOM 1115 CG ARG A 76 3.079 0.517 1.216 1.00 0.00 C ATOM 1116 CD ARG A 76 2.128 1.683 1.435 1.00 0.00 C ATOM 1117 NE ARG A 76 2.292 2.281 2.758 1.00 0.00 N ATOM 1118 CZ ARG A 76 1.959 3.535 3.044 1.00 0.00 C ATOM 1119 NH1 ARG A 76 1.445 4.319 2.105 1.00 0.00 N ATOM 1120 NH2 ARG A 76 2.138 4.007 4.271 1.00 0.00 N ATOM 0 H ARG A 76 1.727 -2.741 2.978 1.00 0.00 H new ATOM 0 HA ARG A 76 4.012 -2.242 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.942 -1.227 0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.660 -0.622 2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.983 0.667 1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.384 0.486 0.170 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.301 2.441 0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.100 1.340 1.317 1.00 0.00 H new ATOM 0 HE ARG A 76 2.684 1.704 3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.305 3.959 1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.190 5.281 2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.532 3.407 4.996 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.882 4.970 4.489 1.00 0.00 H new ATOM 1134 N THR A 77 3.812 -0.495 4.141 1.00 0.00 N ATOM 1135 CA THR A 77 4.610 0.196 5.146 1.00 0.00 C ATOM 1136 C THR A 77 5.779 -0.666 5.609 1.00 0.00 C ATOM 1137 O THR A 77 6.868 -0.160 5.875 1.00 0.00 O ATOM 1138 CB THR A 77 3.758 0.585 6.369 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.699 1.462 5.969 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.612 1.264 7.430 1.00 0.00 C ATOM 0 H THR A 77 2.804 -0.425 4.281 1.00 0.00 H new ATOM 0 HA THR A 77 4.994 1.102 4.676 1.00 0.00 H new ATOM 0 HB THR A 77 3.335 -0.325 6.794 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.161 1.703 6.752 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.989 1.529 8.284 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.400 0.583 7.753 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.060 2.166 7.014 1.00 0.00 H new ATOM 1148 N ALA A 78 5.545 -1.971 5.702 1.00 0.00 N ATOM 1149 CA ALA A 78 6.579 -2.904 6.130 1.00 0.00 C ATOM 1150 C ALA A 78 7.719 -2.961 5.118 1.00 0.00 C ATOM 1151 O ALA A 78 8.889 -2.814 5.476 1.00 0.00 O ATOM 1152 CB ALA A 78 5.987 -4.290 6.339 1.00 0.00 C ATOM 0 H ALA A 78 4.648 -2.406 5.486 1.00 0.00 H new ATOM 0 HA ALA A 78 6.985 -2.548 7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.771 -4.976 6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.212 -4.243 7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.553 -4.645 5.404 1.00 0.00 H new ATOM 1158 N LEU A 79 7.372 -3.177 3.854 1.00 0.00 N ATOM 1159 CA LEU A 79 8.367 -3.254 2.790 1.00 0.00 C ATOM 1160 C LEU A 79 9.118 -1.934 2.650 1.00 0.00 C ATOM 1161 O LEU A 79 10.350 -1.908 2.618 1.00 0.00 O ATOM 1162 CB LEU A 79 7.697 -3.616 1.464 1.00 0.00 C ATOM 1163 CG LEU A 79 6.968 -4.960 1.424 1.00 0.00 C ATOM 1164 CD1 LEU A 79 5.905 -4.959 0.337 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.957 -6.096 1.205 1.00 0.00 C ATOM 0 H LEU A 79 6.409 -3.302 3.541 1.00 0.00 H new ATOM 0 HA LEU A 79 9.084 -4.032 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.983 -2.831 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.458 -3.615 0.683 1.00 0.00 H new ATOM 0 HG LEU A 79 6.475 -5.113 2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.397 -5.923 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.180 -4.170 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.374 -4.783 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.421 -7.045 1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.478 -5.948 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.681 -6.110 2.020 1.00 0.00 H new ATOM 1177 N LEU A 80 8.370 -0.839 2.569 1.00 0.00 N ATOM 1178 CA LEU A 80 8.965 0.486 2.435 1.00 0.00 C ATOM 1179 C LEU A 80 10.173 0.636 3.354 1.00 0.00 C ATOM 1180 O LEU A 80 11.228 1.115 2.938 1.00 0.00 O ATOM 1181 CB LEU A 80 7.930 1.566 2.753 1.00 0.00 C ATOM 1182 CG LEU A 80 6.679 1.576 1.874 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.693 2.626 2.362 1.00 0.00 C ATOM 1184 CD2 LEU A 80 7.051 1.826 0.420 1.00 0.00 C ATOM 0 H LEU A 80 7.350 -0.843 2.594 1.00 0.00 H new ATOM 0 HA LEU A 80 9.299 0.605 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.619 1.449 3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.414 2.539 2.673 1.00 0.00 H new ATOM 0 HG LEU A 80 6.202 0.599 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.809 2.619 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.402 2.403 3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.160 3.610 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.148 1.830 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.552 2.790 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.720 1.037 0.075 1.00 0.00 H new